N,N-dibutyl-2-propan-2-ylaniline

C17H29N — CID 67779975

IUPACN,N-dibutyl-2-propan-2-ylaniline
SMILESCCCCN(CCCC)c1ccccc1C(C)C
InChIInChI=1S/C17H29N/c1-5-7-13-18(14-8-6-2)17-12-10-9-11-16(17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyCUEZIPFWLATCFQ-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.22
Rot. Bonds8

About N,N-dibutyl-2-propan-2-ylaniline

N,N-dibutyl-2-propan-2-ylaniline (PubChem CID 67779975) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,N-dibutyl-2-propan-2-ylaniline.

Molecular Properties

Compound NameN,N-dibutyl-2-propan-2-ylaniline
PubChem CID67779975
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,N-dibutyl-2-propan-2-ylaniline
SMILESCCCCN(CCCC)c1ccccc1C(C)C
InChIInChI=1S/C17H29N/c1-5-7-13-18(14-8-6-2)17-12-10-9-11-16(17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeyCUEZIPFWLATCFQ-UHFFFAOYSA-N
XLogP5.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dibutyl-2-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-propan-2-ylaniline?
The IUPAC name of N,N-dibutyl-2-propan-2-ylaniline (CID 67779975) is N,N-dibutyl-2-propan-2-ylaniline.
What is the SMILES notation for N,N-dibutyl-2-propan-2-ylaniline?
The canonical SMILES for N,N-dibutyl-2-propan-2-ylaniline is CCCCN(CCCC)c1ccccc1C(C)C.
What is the InChIKey of N,N-dibutyl-2-propan-2-ylaniline?
The InChIKey is CUEZIPFWLATCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-13-18(14-8-6-2)17-12-10-9-11-16(17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3.
What are the key properties of N,N-dibutyl-2-propan-2-ylaniline?
N,N-dibutyl-2-propan-2-ylaniline has a molecular weight of 247.43 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-propan-2-ylaniline is sourced from PubChem (CID 67779975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).